2-(2-methyl-4-oxoquinazolin-3-yl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide

C19H26N4O4S — CID 55694353

IUPAC2-(2-methyl-4-oxoquinazolin-3-yl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)Cn2c(C)nc3ccccc3c2=O)CC1
InChIInChI=1S/C19H26N4O4S/c1-3-12-28(26,27)22-10-8-15(9-11-22)21-18(24)13-23-14(2)20-17-7-5-4-6-16(17)19(23)25/h4-7,15H,3,8-13H2,1-2H3,(H,21,24)
InChIKeyGHKJJYDMLIMHEK-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.03
Rot. Bonds6

About 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide

2-(2-methyl-4-oxoquinazolin-3-yl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide (PubChem CID 55694353) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-oxoquinazolin-3-yl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
PubChem CID55694353
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name2-(2-methyl-4-oxoquinazolin-3-yl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)Cn2c(C)nc3ccccc3c2=O)CC1
InChIInChI=1S/C19H26N4O4S/c1-3-12-28(26,27)22-10-8-15(9-11-22)21-18(24)13-23-14(2)20-17-7-5-4-6-16(17)19(23)25/h4-7,15H,3,8-13H2,1-2H3,(H,21,24)
InChIKeyGHKJJYDMLIMHEK-UHFFFAOYSA-N
XLogP1.03
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 71709864
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
4-(1H-benzimidazol-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 46456209
3-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115932955
N-(1-ethylpiperidin-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 36813609
N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 655418
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 96543678
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
2-(2-benzyl-4-oxoquinazolin-3-yl)-N-cyclohexylacetamide
CID 1462734
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 71893269
N-benzyl-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 39822353
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide (CID 55694353) is 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide is CCCS(=O)(=O)N1CCC(NC(=O)Cn2c(C)nc3ccccc3c2=O)CC1.
What is the InChIKey of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is GHKJJYDMLIMHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-3-12-28(26,27)22-10-8-15(9-11-22)21-18(24)13-23-14(2)20-17-7-5-4-6-16(17)19(23)25/h4-7,15H,3,8-13H2,1-2H3,(H,21,24).
What are the key properties of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide?
2-(2-methyl-4-oxoquinazolin-3-yl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 406.51 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(1-propylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 55694353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).